(3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine

C13H24FNO2 — CID 170926296

IUPAC(3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCO[C@@H]1CN(CC2(COC(C)C)CC2)C[C@H]1F
InChIInChI=1S/C13H24FNO2/c1-10(2)17-9-13(4-5-13)8-15-6-11(14)12(7-15)16-3/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyHXLWJEJIYDDENH-VXGBXAGGSA-N
MW245.34 g/mol
LogP1.86
Rot. Bonds6

About (3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine

(3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine (PubChem CID 170926296) has the molecular formula C13H24FNO2 and a molecular weight of 245.34 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
PubChem CID170926296
Molecular FormulaC13H24FNO2
Molecular Weight245.34 g/mol
Exact Mass245.18
IUPAC Name(3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
SMILESCO[C@@H]1CN(CC2(COC(C)C)CC2)C[C@H]1F
InChIInChI=1S/C13H24FNO2/c1-10(2)17-9-13(4-5-13)8-15-6-11(14)12(7-15)16-3/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyHXLWJEJIYDDENH-VXGBXAGGSA-N
XLogP1.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926336
(3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol
CID 170926422
ethane;[1-[(3-fluoro-4-methoxypyrrolidin-1-yl)methyl]cyclopropyl]methanol
CID 176926700
1-[1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidin-3-yl]ethanone
CID 178037963
(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926000
(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926110
6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane
CID 170676624
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231
(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 175612155
3-[[1-[[(2R)-3-methylbutan-2-yl]oxymethyl]cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 174148896
(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine
CID 170343536
4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170424249

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The IUPAC name of (3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine (CID 170926296) is (3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine.
What is the SMILES notation for (3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The canonical SMILES for (3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine is CO[C@@H]1CN(CC2(COC(C)C)CC2)C[C@H]1F.
What is the InChIKey of (3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
The InChIKey is HXLWJEJIYDDENH-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H24FNO2/c1-10(2)17-9-13(4-5-13)8-15-6-11(14)12(7-15)16-3/h10-12H,4-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine?
(3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine has a molecular weight of 245.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine is sourced from PubChem (CID 170926296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).